104310-02-3
3-METHYL-4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE
Name3-METHYL-4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE
1Identification
【Name】
3-METHYL-4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE
【CAS】
【MDL】
MFCD01099157
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H12 N2 O2
【pro_molWeight】
204.228
【Inchi】
InChI=1S/C11H12N2O2/c1-8-6-13(7-14)10-5-3-2-4-9(10)12-11(8)15/h2-5,7-8H,6H2,1H3,(H,12,15)
【InChIKey】
InChIKey=FKIQEBMKCDEDBS-UHFFFAOYSA-N
【SMILES】
CC1CN(c2ccccc2NC1=O)C=O
【MOL File】
3-METHYL-4-OXO-2,3,4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-METHYL-4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE.cml